General Information of the Compound
| Compound ID |
CP0188931
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| Compound Name |
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-ynoxy]-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C23H23Cl2N3O2
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| Molecular Weight |
444.362
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| Canonical SMILES |
Clc1cccc(N2CCN(CC#CCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
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| InChI |
InChI=1S/C23H23Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,7,9-15H2,(H,26,29)
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| InChIKey |
FNZOOYYZKQCPEG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay